5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile

C10H14N4OS — CID 103469139

IUPAC5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile
SMILESCC(CNc1ncc(C#N)cc1N)S(C)=O
InChIInChI=1S/C10H14N4OS/c1-7(16(2)15)5-13-10-9(12)3-8(4-11)6-14-10/h3,6-7H,5,12H2,1-2H3,(H,13,14)
InChIKeyJFCLVLNYSNSHPV-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.71
Rot. Bonds4

About 5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile

5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile (PubChem CID 103469139) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile
PubChem CID103469139
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile
SMILESCC(CNc1ncc(C#N)cc1N)S(C)=O
InChIInChI=1S/C10H14N4OS/c1-7(16(2)15)5-13-10-9(12)3-8(4-11)6-14-10/h3,6-7H,5,12H2,1-2H3,(H,13,14)
InChIKeyJFCLVLNYSNSHPV-UHFFFAOYSA-N
XLogP0.71
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967
5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile
CID 103469065
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 103467864
5-amino-6-(2-ethoxyethylamino)pyridine-3-carbonitrile
CID 103467671
5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile
CID 115764283
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile
CID 103468093
5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 103468421
5-bromo-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
CID 115764259
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468425

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile (CID 103469139) is 5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile is CC(CNc1ncc(C#N)cc1N)S(C)=O.
What is the InChIKey of 5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile?
The InChIKey is JFCLVLNYSNSHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-7(16(2)15)5-13-10-9(12)3-8(4-11)6-14-10/h3,6-7H,5,12H2,1-2H3,(H,13,14).
What are the key properties of 5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile?
5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile has a molecular weight of 238.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 103469139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).